[4-(azepan-1-yl)-2,4-dimethylpent-1-en-3-yl]hydrazine

C13H27N3 — CID 105240407

IUPAC[4-(azepan-1-yl)-2,4-dimethylpent-1-en-3-yl]hydrazine
SMILESC=C(C)C(NN)C(C)(C)N1CCCCCC1
InChIInChI=1S/C13H27N3/c1-11(2)12(15-14)13(3,4)16-9-7-5-6-8-10-16/h12,15H,1,5-10,14H2,2-4H3
InChIKeyYZZZHYABTKBUKG-UHFFFAOYSA-N
MW225.38 g/mol
LogP2.05
Rot. Bonds4

About [4-(azepan-1-yl)-2,4-dimethylpent-1-en-3-yl]hydrazine

[4-(azepan-1-yl)-2,4-dimethylpent-1-en-3-yl]hydrazine (PubChem CID 105240407) has the molecular formula C13H27N3 and a molecular weight of 225.38 g/mol. Its IUPAC name is [4-(azepan-1-yl)-2,4-dimethylpent-1-en-3-yl]hydrazine.

Molecular Properties

Compound Name[4-(azepan-1-yl)-2,4-dimethylpent-1-en-3-yl]hydrazine
PubChem CID105240407
Molecular FormulaC13H27N3
Molecular Weight225.38 g/mol
Exact Mass225.22
IUPAC Name[4-(azepan-1-yl)-2,4-dimethylpent-1-en-3-yl]hydrazine
SMILESC=C(C)C(NN)C(C)(C)N1CCCCCC1
InChIInChI=1S/C13H27N3/c1-11(2)12(15-14)13(3,4)16-9-7-5-6-8-10-16/h12,15H,1,5-10,14H2,2-4H3
InChIKeyYZZZHYABTKBUKG-UHFFFAOYSA-N
XLogP2.05
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-(Azepan-1-yl)-2,4-dimethylpent-1-en-3-amine
CID 79179292
4-(azepan-1-yl)-N,2,4-trimethylpent-1-en-3-amine
CID 79179522
4-(azepan-1-yl)-N-ethyl-2,4-dimethylpent-1-en-3-amine
CID 79179719
2-(Azepan-1-yl)-2,5-dimethylhex-5-en-3-amine
CID 79184976
3-hydrazinyl-N,N,2,6-tetramethylhept-6-en-2-amine
CID 105238939
3-hydrazinyl-N,N,2,5-tetramethylhex-5-en-2-amine
CID 105239086
3-hydrazinyl-N,N,2-trimethyl-5-methylideneheptan-2-amine
CID 105239093
3-hydrazinyl-N,N,2,4-tetramethylpent-4-en-2-amine
CID 105239095
N,N-diethyl-3-hydrazinyl-2,6-dimethylhept-6-en-2-amine
CID 105239271
N,N-diethyl-3-hydrazinyl-2-methylhept-6-en-2-amine
CID 105239284
N,N-diethyl-3-hydrazinyl-2,5-dimethylhex-5-en-2-amine
CID 105239399
N,N-diethyl-3-hydrazinyl-2-methyl-5-methylideneheptan-2-amine
CID 105239407

Frequently Asked Questions

What is the IUPAC name of [4-(azepan-1-yl)-2,4-dimethylpent-1-en-3-yl]hydrazine?
The IUPAC name of [4-(azepan-1-yl)-2,4-dimethylpent-1-en-3-yl]hydrazine (CID 105240407) is [4-(azepan-1-yl)-2,4-dimethylpent-1-en-3-yl]hydrazine.
What is the SMILES notation for [4-(azepan-1-yl)-2,4-dimethylpent-1-en-3-yl]hydrazine?
The canonical SMILES for [4-(azepan-1-yl)-2,4-dimethylpent-1-en-3-yl]hydrazine is C=C(C)C(NN)C(C)(C)N1CCCCCC1.
What is the InChIKey of [4-(azepan-1-yl)-2,4-dimethylpent-1-en-3-yl]hydrazine?
The InChIKey is YZZZHYABTKBUKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3/c1-11(2)12(15-14)13(3,4)16-9-7-5-6-8-10-16/h12,15H,1,5-10,14H2,2-4H3.
What are the key properties of [4-(azepan-1-yl)-2,4-dimethylpent-1-en-3-yl]hydrazine?
[4-(azepan-1-yl)-2,4-dimethylpent-1-en-3-yl]hydrazine has a molecular weight of 225.38 g/mol, XLogP of 2.05, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(azepan-1-yl)-2,4-dimethylpent-1-en-3-yl]hydrazine is sourced from PubChem (CID 105240407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).